Geometry & MOs

Info

ID:	156126
PubChem CID:	56369231
Reduced:	O2N3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	422.304562
ΔH_f, kcal/mol:	12.04
Dipole, Da:	8.29
IP(EA), eV:	-8.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(propan-2-yl)amino]methyl]-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=C(C=CC(=C2)CC3=CC=CC=C3)O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations